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Triamcinolone Acetonide EP Impurity C

CAT: 1299-RM-T180913-01Size: 10 mgDry Ice: NoHazardous: No
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CAS Number
161740-69-8
Synonyms
(6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -8b- (2,2-dihydroxyacetyl) -6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4 (2H) -one
Molecular Formula
C24H31FO7
Molecular Weight
450.5
Target Alternative Name
Triamcinolone
Product Name Synonym
(6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -8b- (2,2-dihydroxyacetyl) -6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4 (2H) -one

Chemical Information

21-Hydroxy triamcinolone acetonide
CAS Number161740-69-8
PubChem CID72941711
IUPAC Name(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2,2-dihydroxyacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC24H31FO7
Molecular Weight450.5
XLogP2
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity956
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(O)O)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI
InChI=1S/C24H31FO7/c1-20(2)31-17-10-15-14-6-5-12-9-13(26)7-8-21(12,3)23(14,25)16(27)11-22(15,4)24(17,32-20)18(28)19(29)30/h7-9,14-17,19,27,29-30H,5-6,10-11H2,1-4H3/t14-,15-,16-,17+,21-,22-,23-,24-/m0/s1
InChIKey
ASTBRKVQRYGLJO-DGGKRYAMSA-N
Chemical Structure
2D Structure
2D structure of 21-Hydroxy triamcinolone acetonide
CAS: 161740-69-8
CID: 72941711
Formula: C24H31FO7
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass450.20538149
Monoisotopic Mass450.20538149
Topological Polar Surface Area113 Ų
Heavy Atom Count32
Formal Charge0
Complexity956
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-T02914-01Triamcinolone Acetonide Impurity (Triamcinolone Base)
AR-T02915-01Triamcinolone Acetonide Impurity (Epoxy Acetonide)
CS-P-08758Triamcinolone Acetonide Impurity (Diolone Acetonide)
CS-O-51254Triamcinolone Acetonide Impurity 4
CS-T-51063Triamcinolone Acetonide Impurity E
AR-T02909-01Triamcinolone Acetonide EP Impurity F (Triamcinolone Acetonide 21-Acetate)
AR-T02922-01Triamcinolone Acetonide EP Impurity E
AR-T02913-01Triamcinolone Acetonide EP Impurity D
AR-T08044-01Triamcinolone Acetonide EP Impurity C
AR-T08055-01Triamcinolone Acetonide EP Impurity B

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